#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yeo n HIS 2 N 0.00 0.00 -4.00 2.03 -0.00 -1.26 -4.75 115.22 107.24 1yeo n HIS 2 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.38 1yeo n HIS 2 Cb 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 29.99 29.84 1yeo n HIS 2 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1yeo s LEU 3 N 0.00 2.69 0.76 0.27 1.43 -1.26 -5.10 118.68 117.47 1yeo s LEU 3 Ca 0.00 -0.60 -0.15 0.00 -1.03 0.00 0.00 54.13 52.35 1yeo s LEU 3 Cb 0.00 -1.63 0.03 0.00 0.03 0.00 0.00 46.19 44.62 1yeo s LEU 3 CO 0.00 -0.04 0.99 0.41 0.23 0.00 0.00 176.35 177.95 1yeo n THR 4 N 4.70 2.46 -0.37 5.49 -1.04 -1.26 -4.69 114.28 119.56 1yeo n THR 4 Ca -0.19 -0.32 0.01 0.00 -2.04 0.00 0.00 64.05 61.52 1yeo n THR 4 Cb 0.50 -1.10 0.16 0.00 -1.82 0.00 0.00 70.33 68.06 1yeo n THR 4 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1yeo h PRO 5 N -0.49 1.19 0.00 -2.82 0.11 -1.99 -0.20 132.00 127.79 1yeo h PRO 5 Ca -0.47 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1yeo h PRO 5 Cb 1.32 -0.27 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1yeo h PRO 5 CO 0.46 0.79 0.00 1.05 -0.21 0.00 0.00 178.00 180.09 1yeo h GLU 6 N 1.23 0.00 0.01 1.05 9.09 -1.98 -1.76 114.58 122.21 1yeo h GLU 6 Ca 0.42 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.83 1yeo h GLU 6 Cb 0.08 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.18 1yeo h GLU 6 CO -0.15 0.00 -0.00 0.93 0.05 0.00 0.00 179.01 179.84 1yeo h GLU 7 N 0.00 -0.01 -0.61 1.06 5.08 -1.45 -2.19 114.58 116.46 1yeo h GLU 7 Ca 0.00 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.48 1yeo h GLU 7 Cb 0.54 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.70 1yeo h GLU 7 CO 0.00 0.85 0.13 0.87 -1.00 0.00 0.00 179.01 179.86 1yeo h LYS 8 N -0.94 0.26 0.00 2.33 1.57 -1.04 0.88 116.57 119.63 1yeo h LYS 8 Ca -0.00 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 1yeo h LYS 8 Cb 0.86 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 1yeo h LYS 8 CO 0.00 0.17 -0.30 1.03 -0.57 0.00 0.00 179.45 179.79 1yeo h SER 9 N 0.26 0.00 -0.18 0.86 0.87 -1.40 -0.96 113.55 113.00 1yeo h SER 9 Ca 0.32 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.77 1yeo h SER 9 Cb 0.48 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 1yeo h SER 9 CO -0.41 0.30 -0.32 0.00 -0.53 0.00 0.00 176.83 175.87 1yeo h ALA 10 N 1.70 0.28 0.18 6.23 0.00 -0.21 -2.61 119.26 124.84 1yeo h ALA 10 Ca -0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1yeo h ALA 10 Cb 0.60 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1yeo h ALA 10 CO 0.04 0.32 -0.09 0.28 0.00 0.00 0.00 179.25 179.80 1yeo h VAL 11 N 0.19 0.90 -0.10 0.00 2.07 -0.89 -3.06 116.25 115.36 1yeo h VAL 11 Ca 0.01 -0.37 0.03 0.00 0.82 0.00 0.00 66.70 67.19 1yeo h VAL 11 Cb 0.91 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.77 1yeo h VAL 11 CO 0.07 0.09 -0.11 0.74 0.02 0.00 0.00 177.57 178.38 1yeo h THR 12 N -0.42 0.70 -0.66 2.57 2.02 -1.25 -1.29 112.91 114.58 1yeo h THR 12 Ca -0.02 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.17 1yeo h THR 12 Cb 0.32 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 1yeo h THR 12 CO 0.04 0.00 0.44 0.00 0.37 0.00 0.00 175.52 176.37 1yeo h ALA 13 N 0.93 1.58 0.11 6.16 0.00 -1.51 -1.80 119.26 124.73 1yeo h ALA 13 Ca 0.07 -0.04 -0.27 0.00 0.00 0.00 0.00 54.91 54.68 1yeo h ALA 13 Cb 0.24 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1yeo h ALA 13 CO -0.18 0.37 -1.19 1.25 0.00 0.00 0.00 179.25 179.50 1yeo h LEU 14 N 0.85 0.44 -0.91 0.00 5.85 -1.38 -3.25 115.31 116.92 1yeo h LEU 14 Ca 0.25 -0.45 -0.04 0.00 0.84 0.00 0.00 57.88 58.48 1yeo h LEU 14 Cb -0.02 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 1yeo h LEU 14 CO -0.06 1.33 0.29 -0.25 -0.34 0.00 0.00 178.44 179.41 1yeo h TRP 15 N 0.10 1.10 -0.04 1.25 2.91 -0.64 -0.90 115.95 119.73 1yeo h TRP 15 Ca -0.13 -0.08 0.01 0.00 1.13 0.00 0.00 58.89 59.83 1yeo h TRP 15 Cb 1.91 -0.33 -0.00 0.00 -0.51 0.00 0.00 29.16 30.22 1yeo h TRP 15 CO 0.06 0.84 0.52 0.78 -1.03 0.00 0.00 178.44 179.61 1yeo h GLY 16 N 1.11 0.00 -1.63 2.65 0.00 -1.38 0.29 103.07 104.11 1yeo h GLY 16 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1yeo h GLY 16 CO -0.02 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.80 1yeo n LYS 17 N -2.84 1.93 -2.56 4.80 5.02 -0.34 -4.97 118.16 119.20 1yeo n LYS 17 Ca -0.01 -1.84 -0.42 0.00 -2.02 0.00 0.00 58.31 54.02 1yeo n LYS 17 Cb 0.57 -1.37 -0.03 0.00 -0.02 0.00 0.00 35.03 34.18 1yeo n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1yeo s VAL 18 N -1.31 4.33 -0.64 -0.18 1.01 0.09 -4.97 120.40 118.73 1yeo s VAL 18 Ca 0.26 1.74 -0.26 0.00 0.00 0.00 0.00 61.98 63.73 1yeo s VAL 18 Cb 0.16 -4.11 0.04 0.00 0.00 0.00 0.00 36.38 32.47 1yeo s VAL 18 CO 0.23 0.17 1.12 0.21 0.00 0.00 0.00 175.10 176.83 1yeo s ASN 19 N 0.76 6.27 0.48 3.32 3.84 -1.26 -4.92 114.94 123.43 1yeo s ASN 19 Ca 0.54 -0.40 0.22 0.00 0.21 0.00 0.00 52.86 53.42 1yeo s ASN 19 Cb -0.26 -2.50 1.21 0.00 -0.55 0.00 0.00 41.25 39.15 1yeo s ASN 19 CO 0.30 -1.54 2.01 0.58 -2.79 0.00 0.00 177.10 175.66 1yeo h VAL 20 N 6.05 0.82 -0.25 -5.21 2.07 -1.96 -2.04 116.25 115.73 1yeo h VAL 20 Ca -0.27 -0.68 -0.19 0.00 0.82 0.00 0.00 66.70 66.39 1yeo h VAL 20 Cb 1.06 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 1yeo h VAL 20 CO 1.19 0.17 -0.57 0.44 0.02 0.00 0.00 177.57 178.83 1yeo h ASP 21 N 0.00 0.93 0.15 0.57 5.19 -1.96 -2.68 116.42 118.62 1yeo h ASP 21 Ca -0.00 -0.55 -0.01 0.00 -0.62 0.00 0.00 57.03 55.85 1yeo h ASP 21 Cb 0.39 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 39.63 1yeo h ASP 21 CO 0.02 1.32 -0.07 -0.33 -3.12 0.00 0.00 179.24 177.06 1yeo h GLU 22 N 0.59 -0.19 -0.80 3.56 5.08 -1.93 -3.17 114.58 117.71 1yeo h GLU 22 Ca 0.00 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1yeo h GLU 22 Cb 1.18 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.44 1yeo h GLU 22 CO 0.12 0.25 0.33 0.28 -1.00 0.00 0.00 179.01 179.00 1yeo h VAL 23 N -0.78 1.26 -0.21 3.13 2.07 -1.50 -1.37 116.25 118.85 1yeo h VAL 23 Ca -0.02 -0.80 -0.02 0.00 0.82 0.00 0.00 66.70 66.68 1yeo h VAL 23 Cb 0.53 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1yeo h VAL 23 CO 0.03 0.33 0.06 1.23 0.02 0.00 0.00 177.57 179.25 1yeo h GLY 24 N 1.17 0.35 1.38 2.17 0.00 -1.60 0.11 103.07 106.65 1yeo h GLY 24 Ca 0.27 -0.21 -0.09 0.00 0.00 0.00 0.00 47.33 47.30 1yeo h GLY 24 CO -0.02 0.19 -0.10 -1.33 0.00 0.00 0.00 176.54 175.28 1yeo h GLY 25 N 0.16 0.80 1.03 4.60 0.00 -1.51 -2.20 103.07 105.95 1yeo h GLY 25 Ca 0.07 -0.59 -0.13 0.00 0.00 0.00 0.00 47.33 46.67 1yeo h GLY 25 CO -0.00 0.54 -0.31 -2.09 0.00 0.00 0.00 176.54 174.69 1yeo h GLU 26 N 0.67 0.81 -0.28 4.80 4.81 -0.91 -1.12 114.58 123.37 1yeo h GLU 26 Ca 0.12 -0.41 -0.09 0.00 -0.13 0.00 0.00 59.36 58.84 1yeo h GLU 26 Cb 0.56 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 1yeo h GLU 26 CO 0.03 1.05 -0.18 0.00 -0.73 0.00 0.00 179.01 179.18 1yeo h ALA 27 N 0.75 0.40 -0.35 2.92 0.00 -0.68 0.11 119.26 122.40 1yeo h ALA 27 Ca 0.06 -0.35 -0.15 0.00 0.00 0.00 0.00 54.91 54.47 1yeo h ALA 27 Cb 0.88 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1yeo h ALA 27 CO 0.08 0.32 -0.37 1.25 0.00 0.00 0.00 179.25 180.52 1yeo h LEU 28 N 0.35 0.93 -0.27 0.00 5.85 -1.43 -2.05 115.31 118.69 1yeo h LEU 28 Ca 0.06 -0.47 -0.01 0.00 0.84 0.00 0.00 57.88 58.30 1yeo h LEU 28 Cb 0.71 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1yeo h LEU 28 CO 0.05 1.21 0.14 1.23 -0.34 0.00 0.00 178.44 180.74 1yeo h GLY 29 N 0.66 0.41 1.86 3.75 0.00 -1.12 -2.68 103.07 105.95 1yeo h GLY 29 Ca 0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.17 1yeo h GLY 29 CO 0.09 0.18 -0.00 3.21 0.00 0.00 0.00 176.54 180.02 1yeo h ARG 30 N 0.32 0.18 0.07 4.80 3.08 -0.68 -1.71 114.38 120.44 1yeo h ARG 30 Ca 0.09 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 1yeo h ARG 30 Cb 0.08 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1yeo h ARG 30 CO -0.01 0.21 -0.03 1.25 -1.07 0.00 0.00 179.97 180.31 1yeo h LEU 31 N 0.19 -0.08 -1.15 3.04 5.85 -1.03 0.36 115.31 122.48 1yeo h LEU 31 Ca 0.05 -0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.64 1yeo h LEU 31 Cb 0.14 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1yeo h LEU 31 CO 0.00 -0.01 -0.38 -0.07 -0.34 0.00 0.00 178.44 177.64 1yeo h LEU 32 N -0.14 0.09 0.05 2.25 3.38 -1.29 0.32 115.31 119.97 1yeo h LEU 32 Ca -0.01 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1yeo h LEU 32 Cb 0.12 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 40.85 1yeo h LEU 32 CO 0.02 0.46 -0.34 0.58 0.09 0.00 0.00 178.44 179.25 1yeo h VAL 33 N 0.08 1.65 -0.13 1.22 2.07 -1.16 -3.18 116.25 116.81 1yeo h VAL 33 Ca 0.01 -2.40 -0.16 0.00 0.82 0.00 0.00 66.70 64.96 1yeo h VAL 33 Cb 0.70 3.27 -0.01 0.00 -1.52 0.00 0.00 31.29 33.74 1yeo h VAL 33 CO 0.05 0.63 -0.60 0.58 0.02 0.00 0.00 177.57 178.26 1yeo h VAL 34 N -0.79 1.35 -2.97 2.57 2.07 -0.23 -3.36 116.25 114.89 1yeo h VAL 34 Ca -0.07 -1.91 -0.62 0.00 0.82 0.00 0.00 66.70 64.93 1yeo h VAL 34 Cb 1.23 1.90 -0.41 0.00 -1.52 0.00 0.00 31.29 32.50 1yeo h VAL 34 CO 0.04 0.58 -0.69 -0.31 0.02 0.00 0.00 177.57 177.21 1yeo s TYR 35 N -3.86 2.68 0.56 1.57 2.02 0.11 -4.97 117.35 115.47 1yeo s TYR 35 Ca -0.06 -2.91 0.42 0.00 -0.37 0.00 0.00 57.07 54.15 1yeo s TYR 35 Cb 0.11 -2.20 2.21 0.00 -0.40 0.00 0.00 41.96 41.68 1yeo s TYR 35 CO 0.83 -0.68 2.30 -1.35 -1.57 0.00 0.00 175.55 175.07 1yeo h PRO 36 N 5.92 0.00 -0.98 -1.71 0.11 -1.71 -1.81 132.00 131.81 1yeo h PRO 36 Ca 0.10 0.00 0.08 0.00 0.11 0.00 0.00 66.00 66.29 1yeo h PRO 36 Cb 0.84 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.88 1yeo h PRO 36 CO 0.59 0.00 0.62 0.00 -0.21 0.00 0.00 178.00 179.01 1yeo h ALA 37 N 2.00 1.40 0.00 -0.75 0.00 -1.91 0.38 119.26 120.37 1yeo h ALA 37 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1yeo h ALA 37 Cb 0.10 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1yeo h ALA 37 CO 0.00 0.34 0.00 0.25 0.00 0.00 0.00 179.25 179.84 1yeo n THR 38 N -4.57 1.63 0.33 0.00 -2.24 -0.68 -2.23 114.28 106.52 1yeo n THR 38 Ca 0.16 0.41 0.15 0.00 -2.27 0.00 0.00 64.05 62.50 1yeo n THR 38 Cb 0.24 -1.36 0.63 0.00 -2.10 0.00 0.00 70.33 67.75 1yeo n THR 38 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1yeo h GLN 39 N 0.00 0.00 0.00 -0.78 4.20 -1.11 -2.91 115.11 114.51 1yeo h GLN 39 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1yeo h GLN 39 Cb 0.05 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.83 1yeo h GLN 39 CO 0.00 0.00 -0.04 0.07 -0.67 0.00 0.00 178.83 178.19 1yeo h ARG 40 N 0.00 0.00 0.00 1.46 0.11 -1.65 -2.56 114.38 111.74 1yeo h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1yeo h ARG 40 Cb 0.35 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.43 1yeo h ARG 40 CO 0.00 0.04 -0.37 0.74 0.10 0.00 0.00 179.97 180.48 1yeo h PHE 41 N 0.00 0.00 -0.14 4.08 0.04 -1.78 -3.32 116.94 115.81 1yeo h PHE 41 Ca -0.00 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.72 1yeo h PHE 41 Cb 0.37 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.49 1yeo h PHE 41 CO 0.00 0.00 -0.16 1.19 -0.60 0.00 0.00 178.31 178.74 1yeo n PHE 42 N -2.46 0.47 -0.21 -0.55 3.72 -0.97 -4.76 117.46 112.70 1yeo n PHE 42 Ca 0.04 -1.29 0.21 0.00 -0.05 0.00 0.00 57.45 56.35 1yeo n PHE 42 Cb 0.47 -0.30 0.56 0.00 -0.94 0.00 0.00 39.48 39.27 1yeo n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1yeo h GLU 43 N 0.87 0.31 0.00 -1.08 5.08 -1.65 0.19 114.58 118.29 1yeo h GLU 43 Ca 0.06 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1yeo h GLU 43 Cb 1.26 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1yeo h GLU 43 CO 0.15 0.20 0.00 -1.13 -1.00 0.00 0.00 179.01 177.23 1yeo n SER 44 N -4.46 0.00 0.03 1.42 3.41 -1.26 -2.91 113.62 109.86 1yeo n SER 44 Ca 0.18 -0.72 0.12 0.00 -0.26 0.00 0.00 58.87 58.19 1yeo n SER 44 Cb 0.73 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.88 1yeo n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1yeo n PHE 45 N -0.86 0.31 0.00 7.33 3.01 0.67 -5.06 117.46 122.87 1yeo n PHE 45 Ca 0.10 0.09 0.00 0.00 1.01 0.00 0.00 57.45 58.65 1yeo n PHE 45 Cb 0.04 -0.49 0.00 0.00 -0.01 0.00 0.00 39.48 39.03 1yeo n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1yeo n GLY 46 N 1.40 0.39 3.65 1.37 0.00 -1.14 -4.80 105.19 106.06 1yeo n GLY 46 Ca 0.04 -1.81 -0.43 0.00 0.00 0.00 0.00 46.02 43.83 1yeo n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1yeo s ASP 47 N -4.00 6.99 -0.18 1.61 2.15 -1.26 -4.87 116.67 117.10 1yeo s ASP 47 Ca 0.00 1.17 0.17 0.00 0.43 0.00 0.00 52.55 54.33 1yeo s ASP 47 Cb 0.00 -2.53 0.45 0.00 -0.30 0.00 0.00 42.92 40.54 1yeo s ASP 47 CO 0.00 -0.75 1.17 0.18 -0.17 0.00 0.00 175.17 175.60 1yeo n LEU 48 N 6.54 2.42 0.17 -1.34 4.77 -1.26 -4.43 117.00 123.87 1yeo n LEU 48 Ca 0.11 -3.33 0.03 0.00 -0.03 0.00 0.00 56.01 52.80 1yeo n LEU 48 Cb 0.47 -0.10 0.27 0.00 -2.33 0.00 0.00 43.42 41.73 1yeo n LEU 48 CO 0.55 1.21 0.61 0.77 -1.33 0.00 0.00 177.39 179.20 1yeo h SER 49 N 1.62 0.00 -5.19 -1.43 4.64 -1.94 -3.45 113.55 107.80 1yeo h SER 49 Ca -0.02 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.18 1yeo h SER 49 Cb 1.44 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.37 1yeo h SER 49 CO 0.23 0.45 -0.63 0.42 -0.87 0.00 0.00 176.83 176.43 1yeo s THR 50 N -3.57 0.19 0.15 2.95 -4.23 -1.26 -5.04 115.64 104.83 1yeo s THR 50 Ca -0.00 -1.57 -0.24 0.00 -1.18 0.00 0.00 61.69 58.70 1yeo s THR 50 Cb 0.11 -1.30 0.03 0.00 1.34 0.00 0.00 72.50 72.68 1yeo s THR 50 CO 0.71 -0.87 1.60 -0.65 -0.54 0.00 0.00 174.62 174.88 1yeo h PRO 51 N 3.32 -0.29 -0.71 3.99 0.11 -1.98 0.82 132.00 137.26 1yeo h PRO 51 Ca -0.34 0.02 0.07 0.00 0.11 0.00 0.00 66.00 65.87 1yeo h PRO 51 Cb 1.16 0.07 -0.06 0.00 0.11 0.00 0.00 31.00 32.27 1yeo h PRO 51 CO 0.61 -0.19 0.38 -0.44 -0.21 0.00 0.00 178.00 178.15 1yeo h ASP 52 N -0.30 0.54 -0.47 -2.05 3.32 -1.99 0.17 116.42 115.65 1yeo h ASP 52 Ca 0.14 0.04 0.03 0.00 0.02 0.00 0.00 57.03 57.26 1yeo h ASP 52 Cb 0.54 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.99 1yeo h ASP 52 CO -0.47 0.33 0.26 0.00 -1.72 0.00 0.00 179.24 177.65 1yeo h ALA 53 N 1.39 0.59 -0.07 3.45 0.00 -1.58 -2.06 119.26 120.99 1yeo h ALA 53 Ca 0.33 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 1yeo h ALA 53 Cb 0.27 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1yeo h ALA 53 CO -0.22 -0.06 0.03 0.28 0.00 0.00 0.00 179.25 179.28 1yeo h VAL 54 N 0.53 1.11 0.00 0.00 2.07 0.15 -2.32 116.25 117.78 1yeo h VAL 54 Ca 0.19 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 1yeo h VAL 54 Cb 0.05 1.19 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1yeo h VAL 54 CO -0.10 0.09 -0.16 0.24 0.02 0.00 0.00 177.57 177.66 1yeo h MET 55 N -0.01 0.00 0.00 1.57 2.86 -0.68 -2.93 114.93 115.74 1yeo h MET 55 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1yeo h MET 55 Cb 0.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.78 1yeo h MET 55 CO -0.00 0.16 -0.64 0.78 1.06 0.00 0.00 176.91 178.27 1yeo h GLY 56 N 1.98 0.00 -5.62 8.32 0.00 -1.30 -3.47 103.07 102.98 1yeo h GLY 56 Ca -0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.79 1yeo h GLY 56 CO 0.02 0.00 1.27 0.21 0.00 0.00 0.00 176.54 178.04 1yeo s ASN 57 N -4.78 6.30 0.35 0.19 3.84 -0.88 -4.87 114.94 115.09 1yeo s ASN 57 Ca 0.05 2.51 0.27 0.00 0.21 0.00 0.00 52.86 55.89 1yeo s ASN 57 Cb 0.11 -2.53 1.17 0.00 -0.55 0.00 0.00 41.25 39.46 1yeo s ASN 57 CO 0.73 -1.20 1.80 1.55 -2.79 0.00 0.00 177.10 177.19 1yeo h PRO 58 N 11.26 0.00 0.10 0.43 0.13 -1.91 -1.35 132.00 140.66 1yeo h PRO 58 Ca -0.47 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.37 1yeo h PRO 58 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1yeo h PRO 58 CO 0.95 0.00 -1.44 0.87 -0.23 0.00 0.00 178.00 178.14 1yeo h LYS 59 N 0.00 0.22 0.07 0.86 1.57 -1.89 -2.58 116.57 114.82 1yeo h LYS 59 Ca 0.00 -0.37 -0.00 0.00 -1.87 0.00 0.00 60.65 58.40 1yeo h LYS 59 Cb 0.32 0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1yeo h LYS 59 CO 0.00 1.09 -0.03 0.28 -0.57 0.00 0.00 179.45 180.22 1yeo h VAL 60 N 0.06 1.00 -0.42 0.50 2.07 -1.71 -2.04 116.25 115.71 1yeo h VAL 60 Ca -0.20 -0.21 0.04 0.00 0.82 0.00 0.00 66.70 67.14 1yeo h VAL 60 Cb 1.99 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 32.85 1yeo h VAL 60 CO 0.16 0.05 0.19 0.11 0.02 0.00 0.00 177.57 178.11 1yeo h LYS 61 N -0.18 0.38 -0.50 1.57 1.57 -1.34 -0.18 116.57 117.88 1yeo h LYS 61 Ca -0.01 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.64 1yeo h LYS 61 Cb 0.16 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1yeo h LYS 61 CO 0.02 0.25 -0.09 0.00 -0.57 0.00 0.00 179.45 179.05 1yeo h ALA 62 N 1.23 0.69 -0.56 3.86 0.00 -1.47 -2.23 119.26 120.79 1yeo h ALA 62 Ca 0.18 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 1yeo h ALA 62 Cb 0.11 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1yeo h ALA 62 CO -0.14 0.59 -0.07 1.25 0.00 0.00 0.00 179.25 180.88 1yeo h HIS 63 N 0.81 1.15 -0.60 0.00 -0.00 -1.17 -2.35 115.15 113.01 1yeo h HIS 63 Ca 0.13 -0.22 0.12 0.00 -0.00 0.00 0.00 60.37 60.39 1yeo h HIS 63 Cb 0.65 -0.29 -0.09 0.00 -0.00 0.00 0.00 27.41 27.68 1yeo h HIS 63 CO 0.05 1.05 0.09 0.78 -0.00 0.00 0.00 177.93 179.89 1yeo h GLY 64 N 0.92 0.72 0.91 5.26 0.00 -0.83 -0.51 103.07 109.55 1yeo h GLY 64 Ca 0.15 0.01 0.02 0.00 0.00 0.00 0.00 47.33 47.51 1yeo h GLY 64 CO 0.04 -0.14 0.36 1.70 0.00 0.00 0.00 176.54 178.50 1yeo h LYS 65 N 0.21 0.70 -0.69 4.80 3.64 -1.09 -0.74 116.57 123.40 1yeo h LYS 65 Ca 0.31 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.59 1yeo h LYS 65 Cb 0.49 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 1yeo h LYS 65 CO -0.44 0.47 0.20 -0.22 -2.27 0.00 0.00 179.45 177.18 1yeo h LYS 66 N 0.73 1.09 -0.10 1.90 3.64 -0.83 0.32 116.57 123.32 1yeo h LYS 66 Ca 0.23 -0.25 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1yeo h LYS 66 Cb -0.01 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.66 1yeo h LYS 66 CO -0.09 0.95 0.06 0.28 -2.27 0.00 0.00 179.45 178.39 1yeo h VAL 67 N 1.03 1.05 -0.07 2.00 2.07 -0.64 -0.99 116.25 120.70 1yeo h VAL 67 Ca 0.22 -0.12 -0.06 0.00 0.82 0.00 0.00 66.70 67.56 1yeo h VAL 67 Cb 0.33 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1yeo h VAL 67 CO -0.00 0.04 -0.26 -0.07 0.02 0.00 0.00 177.57 177.30 1yeo h LEU 68 N 0.11 0.11 -0.70 2.57 4.07 -0.71 -1.79 115.31 118.96 1yeo h LEU 68 Ca 0.04 -0.03 0.07 0.00 0.08 0.00 0.00 57.88 58.03 1yeo h LEU 68 Cb 0.02 -0.03 -0.06 0.00 1.08 0.00 0.00 40.66 41.67 1yeo h LEU 68 CO -0.01 0.38 0.38 1.23 -1.08 0.00 0.00 178.44 179.34 1yeo h GLY 69 N 0.90 1.04 1.50 0.83 0.00 0.52 -1.09 103.07 106.77 1yeo h GLY 69 Ca 0.02 -0.26 -0.13 0.00 0.00 0.00 0.00 47.33 46.96 1yeo h GLY 69 CO 0.04 0.14 -0.38 0.00 0.00 0.00 0.00 176.54 176.34 1yeo h ALA 70 N 1.38 0.89 -0.55 3.60 0.00 -0.38 -2.83 119.26 121.36 1yeo h ALA 70 Ca 0.32 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1yeo h ALA 70 Cb 0.24 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1yeo h ALA 70 CO -0.20 0.63 0.09 0.35 0.00 0.00 0.00 179.25 180.12 1yeo h PHE 71 N 0.46 0.91 -0.90 0.00 3.04 -0.88 -2.59 116.94 116.98 1yeo h PHE 71 Ca 0.04 -0.10 0.03 0.00 3.98 0.00 0.00 57.97 61.92 1yeo h PHE 71 Cb 0.87 -0.26 -0.05 0.00 2.56 0.00 0.00 35.95 39.07 1yeo h PHE 71 CO 0.03 0.79 0.58 0.77 -2.02 0.00 0.00 178.31 178.46 1yeo h SER 72 N 0.83 0.98 -0.90 0.41 0.02 -0.97 -2.31 113.55 111.61 1yeo h SER 72 Ca 0.17 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1yeo h SER 72 Cb 0.37 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.63 1yeo h SER 72 CO 0.01 0.68 0.57 0.44 -1.14 0.00 0.00 176.83 177.39 1yeo h ASP 73 N 1.15 1.05 -0.05 3.07 5.19 -1.34 -2.26 116.42 123.23 1yeo h ASP 73 Ca 0.35 -0.04 -0.06 0.00 -0.62 0.00 0.00 57.03 56.65 1yeo h ASP 73 Cb -0.03 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.20 1yeo h ASP 73 CO -0.11 0.78 -0.14 1.23 -3.12 0.00 0.00 179.24 177.88 1yeo h GLY 74 N 1.22 0.41 1.95 2.75 0.00 -1.17 -1.97 103.07 106.25 1yeo h GLY 74 Ca 0.33 -0.27 -0.10 0.00 0.00 0.00 0.00 47.33 47.28 1yeo h GLY 74 CO -0.07 0.25 -0.45 1.41 0.00 0.00 0.00 176.54 177.68 1yeo h LEU 75 N 0.35 0.06 0.00 3.11 3.38 -1.02 -1.62 115.31 119.58 1yeo h LEU 75 Ca 0.07 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1yeo h LEU 75 Cb 0.46 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1yeo h LEU 75 CO 0.03 0.51 -0.19 0.00 0.09 0.00 0.00 178.44 178.88 1yeo n ALA 76 N -2.46 2.58 -2.15 1.53 0.00 -0.86 -3.72 120.51 115.43 1yeo n ALA 76 Ca -0.02 -0.13 -0.19 0.00 0.00 0.00 0.00 53.44 53.11 1yeo n ALA 76 Cb 0.49 -1.37 0.03 0.00 0.00 0.00 0.00 19.45 18.60 1yeo n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1yeo n HIS 77 N -1.91 2.37 0.27 0.00 8.25 -0.80 -4.90 115.22 118.50 1yeo n HIS 77 Ca 0.06 -2.16 0.15 0.00 -0.26 0.00 0.00 57.72 55.50 1yeo n HIS 77 Cb 0.39 -0.32 0.79 0.00 1.12 0.00 0.00 29.99 31.98 1yeo n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1yeo h LEU 78 N 2.20 0.00 -0.01 2.41 3.38 -1.40 0.12 115.31 122.01 1yeo h LEU 78 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1yeo h LEU 78 Cb 1.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.23 1yeo h LEU 78 CO 0.63 0.00 -0.45 0.47 0.09 0.00 0.00 178.44 179.17 1yeo n ASP 79 N -2.65 0.47 -2.93 -0.43 8.00 -1.26 -4.11 116.55 113.64 1yeo n ASP 79 Ca -0.02 -0.20 -0.13 0.00 0.71 0.00 0.00 54.79 55.15 1yeo n ASP 79 Cb 0.21 0.18 0.02 0.00 -0.02 0.00 0.00 41.12 41.52 1yeo n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1yeo n ASN 80 N -1.48 0.21 -0.23 -2.24 5.15 0.42 -4.77 115.26 112.32 1yeo n ASN 80 Ca 0.06 -3.00 -0.02 0.00 -0.60 0.00 0.00 54.58 51.03 1yeo n ASN 80 Cb 0.34 -0.02 0.10 0.00 -0.53 0.00 0.00 39.78 39.66 1yeo n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1yeo h LEU 81 N 2.91 0.52 -0.36 1.20 3.38 -1.74 -1.84 115.31 119.39 1yeo h LEU 81 Ca -0.02 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.05 1yeo h LEU 81 Cb 1.08 -0.07 -0.09 0.00 0.09 0.00 0.00 40.66 41.67 1yeo h LEU 81 CO 0.39 0.34 -0.36 0.11 0.09 0.00 0.00 178.44 179.01 1yeo h LYS 82 N 0.66 -0.29 -0.48 1.13 6.56 -1.92 -0.11 116.57 122.12 1yeo h LYS 82 Ca 0.30 0.02 -0.09 0.00 -1.06 0.00 0.00 60.65 59.82 1yeo h LYS 82 Cb 0.20 0.07 -0.02 0.00 -0.57 0.00 0.00 32.23 31.90 1yeo h LYS 82 CO -0.19 -0.19 -0.05 0.78 -2.06 0.00 0.00 179.45 177.74 1yeo h GLY 83 N -0.30 0.90 2.00 3.86 0.00 -1.91 -2.23 103.07 105.39 1yeo h GLY 83 Ca 0.15 -0.64 -0.05 0.00 0.00 0.00 0.00 47.33 46.79 1yeo h GLY 83 CO -0.52 0.59 -0.26 -0.84 0.00 0.00 0.00 176.54 175.51 1yeo h THR 84 N 0.76 1.13 -0.19 4.70 2.02 -0.76 -3.24 112.91 117.35 1yeo h THR 84 Ca 0.14 -0.90 0.00 0.00 0.77 0.00 0.00 66.41 66.42 1yeo h THR 84 Cb 0.53 1.49 0.00 0.00 -1.74 0.00 0.00 68.15 68.43 1yeo h THR 84 CO 0.03 0.25 0.00 0.49 0.37 0.00 0.00 175.52 176.66 1yeo n PHE 85 N -4.15 0.24 -0.17 3.16 3.72 -0.11 -4.72 117.46 115.43 1yeo n PHE 85 Ca -0.02 -0.35 -0.03 0.00 -0.05 0.00 0.00 57.45 56.99 1yeo n PHE 85 Cb 0.32 -0.02 0.06 0.00 -0.94 0.00 0.00 39.48 38.90 1yeo n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1yeo h ALA 86 N 1.55 0.67 -0.35 4.37 0.00 -1.43 0.03 119.26 124.09 1yeo h ALA 86 Ca 0.00 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1yeo h ALA 86 Cb 0.58 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1yeo h ALA 86 CO 0.00 -0.14 0.03 1.79 0.00 0.00 0.00 179.25 180.93 1yeo h THR 87 N 0.45 1.25 -0.63 0.00 1.35 -1.84 -1.35 112.91 112.14 1yeo h THR 87 Ca 0.24 -0.91 -0.03 0.00 -0.55 0.00 0.00 66.41 65.16 1yeo h THR 87 Cb 0.20 1.15 -0.03 0.00 -1.73 0.00 0.00 68.15 67.74 1yeo h THR 87 CO -0.20 0.30 0.26 -0.07 -0.25 0.00 0.00 175.52 175.56 1yeo h LEU 88 N 0.43 0.84 0.73 3.87 4.07 -1.77 -0.72 115.31 122.76 1yeo h LEU 88 Ca 0.10 -0.11 -0.04 0.00 0.08 0.00 0.00 57.88 57.92 1yeo h LEU 88 Cb 0.41 -0.22 0.01 0.00 1.08 0.00 0.00 40.66 41.94 1yeo h LEU 88 CO 0.01 0.75 -0.35 -1.28 -1.08 0.00 0.00 178.44 176.49 1yeo h SER 89 N 0.91 -0.83 -0.77 -0.43 0.87 -0.75 -0.36 113.55 112.19 1yeo h SER 89 Ca 0.21 0.02 0.16 0.00 -1.23 0.00 0.00 61.79 60.96 1yeo h SER 89 Cb 0.17 0.21 -0.10 0.00 -0.44 0.00 0.00 62.40 62.24 1yeo h SER 89 CO -0.02 -0.58 0.28 -0.33 -0.53 0.00 0.00 176.83 175.65 1yeo h GLU 90 N -1.00 0.38 -0.11 2.24 5.08 -1.05 -1.29 114.58 118.82 1yeo h GLU 90 Ca -0.10 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1yeo h GLU 90 Cb 0.76 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1yeo h GLU 90 CO 0.16 0.25 0.06 1.25 -1.00 0.00 0.00 179.01 179.73 1yeo h LEU 91 N 0.39 0.14 -1.82 1.33 5.85 -0.80 0.23 115.31 120.62 1yeo h LEU 91 Ca 0.43 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 59.05 1yeo h LEU 91 Cb 0.71 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.70 1yeo h LEU 91 CO -0.45 0.18 -0.10 0.45 -0.34 0.00 0.00 178.44 178.17 1yeo h HIS 92 N 0.08 0.00 0.00 1.25 3.86 -0.35 -1.56 115.15 118.43 1yeo h HIS 92 Ca 0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1yeo h HIS 92 Cb 0.07 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.54 1yeo h HIS 92 CO -0.04 0.10 -0.35 0.00 0.86 0.00 0.00 177.93 178.50 1yeo h ASP 94 N -0.84 0.45 0.01 0.00 3.32 -0.61 -3.03 116.42 115.72 1yeo h ASP 94 Ca 0.00 -0.32 -0.39 0.00 0.02 0.00 0.00 57.03 56.34 1yeo h ASP 94 Cb 0.35 -0.13 -0.07 0.00 0.22 0.00 0.00 39.33 39.69 1yeo h ASP 94 CO 0.00 1.09 -2.44 0.29 -1.72 0.00 0.00 179.24 176.45 1yeo n LYS 95 N -3.78 0.66 0.04 3.56 4.01 -0.67 -4.67 118.16 117.31 1yeo n LYS 95 Ca -0.05 0.14 0.11 0.00 -0.51 0.00 0.00 58.31 58.01 1yeo n LYS 95 Cb 0.76 -1.53 -0.07 0.00 -0.51 0.00 0.00 35.03 33.67 1yeo n LYS 95 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1yeo n LEU 96 N -3.23 0.45 -3.57 -0.35 4.77 -0.70 -5.01 117.00 109.36 1yeo n LEU 96 Ca -0.44 0.13 -0.20 0.00 -0.03 0.00 0.00 56.01 55.47 1yeo n LEU 96 Cb 1.01 -0.04 0.07 0.00 -2.33 0.00 0.00 43.42 42.13 1yeo n LEU 96 CO 0.28 -0.07 0.07 1.41 -1.33 0.00 0.00 177.39 177.76 1yeo n HIS 97 N -2.39 -2.20 -3.36 -1.77 8.25 -0.83 -4.98 115.22 107.93 1yeo n HIS 97 Ca -0.01 0.92 -0.40 0.00 -0.26 0.00 0.00 57.72 57.97 1yeo n HIS 97 Cb 0.54 -4.80 -0.09 0.00 1.12 0.00 0.00 29.99 26.76 1yeo n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1yeo s VAL 98 N -3.45 5.15 -0.02 1.59 1.01 -0.47 -5.03 120.40 119.18 1yeo s VAL 98 Ca 0.12 0.49 -0.30 0.00 0.00 0.00 0.00 61.98 62.29 1yeo s VAL 98 Cb -0.06 -3.76 -0.08 0.00 0.00 0.00 0.00 36.38 32.49 1yeo s VAL 98 CO 0.76 0.07 2.00 -0.62 0.00 0.00 0.00 175.10 177.31 1yeo s ASP 99 N 1.66 6.27 0.43 3.32 -1.08 -1.26 -4.76 116.67 121.26 1yeo s ASP 99 Ca 0.15 2.50 0.23 0.00 -0.52 0.00 0.00 52.55 54.91 1yeo s ASP 99 Cb -0.16 -2.53 1.25 0.00 -1.46 0.00 0.00 42.92 40.03 1yeo s ASP 99 CO 0.11 -1.22 1.67 -0.65 0.52 0.00 0.00 175.17 175.60 1yeo h PRO 100 N 11.38 0.00 -0.05 4.34 0.11 -1.96 -1.04 132.00 144.78 1yeo h PRO 100 Ca -0.47 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.65 1yeo h PRO 100 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 1yeo h PRO 100 CO 0.95 0.00 0.06 1.49 -0.21 0.00 0.00 178.00 180.29 1yeo h GLU 101 N 0.00 0.00 0.00 1.05 4.57 -2.00 -0.25 114.58 117.95 1yeo h GLU 101 Ca 0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 1yeo h GLU 101 Cb 0.35 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.93 1yeo h GLU 101 CO 0.00 0.00 -0.15 -0.91 -1.18 0.00 0.00 179.01 176.77 1yeo h ASN 102 N 0.00 0.00 -0.68 1.04 4.21 -1.56 -3.07 115.58 115.51 1yeo h ASN 102 Ca 0.02 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.53 1yeo h ASN 102 Cb 0.15 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.31 1yeo h ASN 102 CO -0.00 0.15 0.41 -0.26 -1.29 0.00 0.00 177.43 176.44 1yeo h PHE 103 N 0.00 0.92 -0.57 1.19 0.04 -1.23 -2.22 116.94 115.06 1yeo h PHE 103 Ca -0.00 -0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.67 1yeo h PHE 103 Cb 0.77 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 38.59 1yeo h PHE 103 CO 0.00 0.62 -0.03 0.00 -0.60 0.00 0.00 178.31 178.30 1yeo h ARG 104 N 0.96 1.01 -0.35 1.51 3.08 -1.66 -1.88 114.38 117.05 1yeo h ARG 104 Ca 0.25 -0.33 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1yeo h ARG 104 Cb -0.02 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 1yeo h ARG 104 CO -0.05 1.01 0.23 -0.07 -1.07 0.00 0.00 179.97 180.02 1yeo h LEU 105 N 0.92 0.40 -1.10 3.04 3.38 -1.52 -0.97 115.31 119.47 1yeo h LEU 105 Ca 0.16 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 1yeo h LEU 105 Cb 0.58 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1yeo h LEU 105 CO 0.03 0.30 0.11 0.25 0.09 0.00 0.00 178.44 179.23 1yeo h LEU 106 N 0.47 0.70 -0.36 1.67 5.85 -1.23 -0.94 115.31 121.47 1yeo h LEU 106 Ca 0.13 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1yeo h LEU 106 Cb -0.05 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 1yeo h LEU 106 CO -0.03 0.70 0.17 1.23 -0.34 0.00 0.00 178.44 180.16 1yeo h GLY 107 N 0.93 0.55 1.65 3.75 0.00 -0.69 0.55 103.07 109.80 1yeo h GLY 107 Ca 0.16 -0.28 -0.13 0.00 0.00 0.00 0.00 47.33 47.08 1yeo h GLY 107 CO -0.00 0.27 -0.46 3.43 0.00 0.00 0.00 176.54 179.77 1yeo h ASN 108 N 0.44 0.41 -0.38 0.19 2.35 -0.95 -0.67 115.58 116.98 1yeo h ASN 108 Ca 0.12 -0.19 -0.06 0.00 -0.55 0.00 0.00 56.30 55.62 1yeo h ASN 108 Cb 0.13 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 1yeo h ASN 108 CO -0.01 0.82 -0.01 0.58 -1.65 0.00 0.00 177.43 177.15 1yeo h VAL 109 N 0.31 1.26 -0.48 2.81 2.07 -0.94 -1.24 116.25 120.04 1yeo h VAL 109 Ca 0.02 -1.01 0.07 0.00 0.82 0.00 0.00 66.70 66.59 1yeo h VAL 109 Cb 0.94 1.17 -0.06 0.00 -1.52 0.00 0.00 31.29 31.82 1yeo h VAL 109 CO 0.08 0.34 0.15 0.25 0.02 0.00 0.00 177.57 178.41 1yeo h LEU 110 N 0.49 0.14 -0.73 2.57 5.85 -0.64 -0.22 115.31 122.77 1yeo h LEU 110 Ca 0.11 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1yeo h LEU 110 Cb 0.48 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 1yeo h LEU 110 CO 0.02 0.11 0.46 0.58 -0.34 0.00 0.00 178.44 179.27 1yeo h VAL 111 N 0.32 1.20 -0.23 1.05 2.07 -0.86 -1.54 116.25 118.25 1yeo h VAL 111 Ca 0.23 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 1yeo h VAL 111 Cb 0.25 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1yeo h VAL 111 CO -0.25 0.20 0.09 0.00 0.02 0.00 0.00 177.57 177.63 1yeo h VAL 113 N 0.32 1.36 -0.92 0.00 2.07 -0.62 -1.57 116.25 116.89 1yeo h VAL 113 Ca 0.08 -1.45 0.06 0.00 0.82 0.00 0.00 66.70 66.21 1yeo h VAL 113 Cb 0.07 1.94 -0.06 0.00 -1.52 0.00 0.00 31.29 31.72 1yeo h VAL 113 CO -0.01 0.43 0.59 -0.07 0.02 0.00 0.00 177.57 178.53 1yeo h LEU 114 N 0.04 0.93 -0.37 2.57 3.38 -1.04 -1.50 115.31 119.32 1yeo h LEU 114 Ca 0.01 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1yeo h LEU 114 Cb 0.80 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1yeo h LEU 114 CO 0.05 0.59 -0.08 0.00 0.09 0.00 0.00 178.44 179.09 1yeo h ALA 115 N 1.43 0.51 -0.98 1.53 0.00 -1.32 -1.02 119.26 119.41 1yeo h ALA 115 Ca 0.40 -0.30 0.06 0.00 0.00 0.00 0.00 54.91 55.07 1yeo h ALA 115 Cb 0.17 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 1yeo h ALA 115 CO -0.17 0.37 0.64 1.25 0.00 0.00 0.00 179.25 181.33 1yeo h HIS 116 N 0.52 1.17 0.00 0.00 -0.00 -0.82 -0.22 115.15 115.80 1yeo h HIS 116 Ca 0.10 0.03 -0.16 0.00 -0.00 0.00 0.00 60.37 60.34 1yeo h HIS 116 Cb 0.60 -0.39 -0.02 0.00 -0.00 0.00 0.00 27.41 27.60 1yeo h HIS 116 CO 0.05 0.62 -0.74 0.45 -0.00 0.00 0.00 177.93 178.30 1yeo h HIS 117 N 1.16 0.00 -0.00 5.26 -0.00 -1.10 -3.38 115.15 117.09 1yeo h HIS 117 Ca 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.79 1yeo h HIS 117 Cb 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.57 1yeo h HIS 117 CO -0.00 0.74 -0.43 1.19 -0.00 0.00 0.00 177.93 179.43 1yeo n PHE 118 N -3.28 0.00 0.00 2.45 3.72 -0.40 -5.05 117.46 114.90 1yeo n PHE 118 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 1yeo n PHE 118 Cb 0.83 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.37 1yeo n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1yeo n GLY 119 N 1.19 2.84 0.38 1.37 0.00 -0.11 -1.58 105.19 109.27 1yeo n GLY 119 Ca 0.02 0.28 0.18 0.00 0.00 0.00 0.00 46.02 46.50 1yeo n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yeo h LYS 120 N 0.00 0.16 0.00 1.61 1.79 -1.97 -0.33 116.57 117.83 1yeo h LYS 120 Ca 0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1yeo h LYS 120 Cb 0.00 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.61 1yeo h LYS 120 CO 0.00 0.10 0.00 0.93 -1.08 0.00 0.00 179.45 179.40 1yeo h GLU 121 N 0.16 0.00 -3.10 3.15 5.08 -1.69 -3.31 114.58 114.87 1yeo h GLU 121 Ca 0.28 0.00 -0.77 0.00 -1.00 0.00 0.00 59.36 57.88 1yeo h GLU 121 Cb 0.90 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.97 1yeo h GLU 121 CO -0.04 0.00 1.86 0.34 -1.00 0.00 0.00 179.01 180.17 1yeo n PHE 122 N -2.68 2.71 -0.94 4.33 7.35 -0.13 -4.94 117.46 123.16 1yeo n PHE 122 Ca 0.02 -2.74 -0.30 0.00 -0.76 0.00 0.00 57.45 53.68 1yeo n PHE 122 Cb 0.34 -1.76 0.17 0.00 0.35 0.00 0.00 39.48 38.58 1yeo n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1yeo s THR 123 N -0.82 2.41 0.20 -2.13 -4.23 -1.25 -4.70 115.64 105.13 1yeo s THR 123 Ca 0.42 0.13 -0.11 0.00 -1.18 0.00 0.00 61.69 60.95 1yeo s THR 123 Cb 0.12 -2.41 0.13 0.00 1.34 0.00 0.00 72.50 71.67 1yeo s THR 123 CO -0.01 -0.18 1.74 -0.65 -0.54 0.00 0.00 174.62 174.99 1yeo h PRO 124 N -1.85 0.36 -0.95 3.99 0.11 -1.93 -0.04 132.00 131.68 1yeo h PRO 124 Ca -0.50 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.61 1yeo h PRO 124 Cb 1.29 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 32.27 1yeo h PRO 124 CO 0.50 0.24 0.63 -1.35 -0.21 0.00 0.00 178.00 177.81 1yeo h PRO 125 N 0.37 1.21 -0.56 1.05 0.11 -1.99 -0.44 132.00 131.74 1yeo h PRO 125 Ca 0.28 -0.07 -0.09 0.00 0.11 0.00 0.00 66.00 66.23 1yeo h PRO 125 Cb 0.34 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 31.16 1yeo h PRO 125 CO -0.30 0.80 0.01 0.28 -0.21 0.00 0.00 178.00 178.59 1yeo h VAL 126 N 1.25 1.26 -0.56 3.15 2.07 -1.74 -2.16 116.25 119.53 1yeo h VAL 126 Ca 0.36 -1.11 0.02 0.00 0.82 0.00 0.00 66.70 66.80 1yeo h VAL 126 Cb -0.08 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 1yeo h VAL 126 CO -0.10 0.40 0.34 -0.61 0.02 0.00 0.00 177.57 177.62 1yeo h GLN 127 N 0.88 0.65 -0.87 1.57 4.15 -0.36 -1.97 115.11 119.16 1yeo h GLN 127 Ca 0.16 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.52 1yeo h GLN 127 Cb 0.53 -0.15 -0.04 0.00 0.21 0.00 0.00 27.48 28.03 1yeo h GLN 127 CO 0.03 0.43 0.45 0.00 -1.93 0.00 0.00 178.83 177.81 1yeo h ALA 128 N 1.25 1.15 -0.63 3.38 0.00 -0.64 0.51 119.26 124.28 1yeo h ALA 128 Ca 0.22 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1yeo h ALA 128 Cb 0.02 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 1yeo h ALA 128 CO -0.10 0.66 0.11 0.00 0.00 0.00 0.00 179.25 179.93 1yeo h ALA 129 N 1.26 1.00 -0.13 0.00 0.00 -1.08 -2.40 119.26 117.92 1yeo h ALA 129 Ca 0.30 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 1yeo h ALA 129 Cb 0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1yeo h ALA 129 CO -0.04 0.63 -0.49 1.88 0.00 0.00 0.00 179.25 181.23 1yeo h TYR 130 N 0.96 0.41 -0.64 0.00 0.05 -0.56 -2.72 116.97 114.46 1yeo h TYR 130 Ca 0.19 -0.13 0.01 0.00 0.05 0.00 0.00 58.73 58.85 1yeo h TYR 130 Cb 0.41 -0.08 -0.03 0.00 1.01 0.00 0.00 36.73 38.03 1yeo h TYR 130 CO 0.03 0.77 0.42 1.96 -1.05 0.00 0.00 178.16 180.29 1yeo h GLN 131 N 0.27 0.84 -0.71 4.88 1.08 -0.49 -0.36 115.11 120.62 1yeo h GLN 131 Ca 0.01 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1yeo h GLN 131 Cb 0.97 -0.19 -0.03 0.00 -0.05 0.00 0.00 27.48 28.17 1yeo h GLN 131 CO 0.08 0.56 0.45 0.87 -0.95 0.00 0.00 178.83 179.84 1yeo h LYS 132 N 0.87 0.95 -0.40 1.46 1.57 -1.33 -1.08 116.57 118.60 1yeo h LYS 132 Ca 0.24 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.91 1yeo h LYS 132 Cb -0.09 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.00 1yeo h LYS 132 CO -0.06 0.65 0.12 0.28 -0.57 0.00 0.00 179.45 179.87 1yeo h VAL 133 N 0.96 1.22 -0.29 0.50 2.07 -1.07 -0.95 116.25 118.68 1yeo h VAL 133 Ca 0.26 -0.72 -0.09 0.00 0.82 0.00 0.00 66.70 66.97 1yeo h VAL 133 Cb -0.07 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1yeo h VAL 133 CO -0.05 0.25 -0.20 0.58 0.02 0.00 0.00 177.57 178.17 1yeo h VAL 134 N 0.50 1.26 -0.39 2.57 2.07 -0.98 -0.18 116.25 121.09 1yeo h VAL 134 Ca 0.13 -1.19 -0.08 0.00 0.82 0.00 0.00 66.70 66.37 1yeo h VAL 134 Cb 0.26 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1yeo h VAL 134 CO -0.00 0.39 -0.07 0.00 0.02 0.00 0.00 177.57 177.91 1yeo h ALA 135 N 1.31 0.54 -0.59 1.67 0.00 -0.94 -1.83 119.26 119.41 1yeo h ALA 135 Ca 0.08 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1yeo h ALA 135 Cb 0.62 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1yeo h ALA 135 CO 0.04 0.38 0.20 0.78 0.00 0.00 0.00 179.25 180.65 1yeo h GLY 136 N 0.55 0.95 0.76 0.00 0.00 -0.71 -0.73 103.07 103.88 1yeo h GLY 136 Ca 0.10 -0.52 -0.05 0.00 0.00 0.00 0.00 47.33 46.87 1yeo h GLY 136 CO 0.03 0.49 -0.10 -2.08 0.00 0.00 0.00 176.54 174.88 1yeo h VAL 137 N 0.86 1.32 -0.22 4.60 2.07 -0.92 -0.80 116.25 123.18 1yeo h VAL 137 Ca 0.20 -1.19 0.05 0.00 0.82 0.00 0.00 66.70 66.58 1yeo h VAL 137 Cb 0.23 1.77 -0.06 0.00 -1.52 0.00 0.00 31.29 31.71 1yeo h VAL 137 CO -0.01 0.35 -0.15 0.00 0.02 0.00 0.00 177.57 177.78 1yeo h ALA 138 N 0.65 0.01 -0.90 1.67 0.00 -0.98 0.18 119.26 119.89 1yeo h ALA 138 Ca 0.03 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1yeo h ALA 138 Cb 0.60 0.34 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 1yeo h ALA 138 CO 0.03 -0.57 0.59 -0.91 0.00 0.00 0.00 179.25 178.38 1yeo h ASN 139 N -0.14 1.00 -0.27 0.00 -0.26 -1.06 -1.93 115.58 112.91 1yeo h ASN 139 Ca 0.13 -0.02 -0.03 0.00 -0.56 0.00 0.00 56.30 55.82 1yeo h ASN 139 Cb 0.33 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 37.35 1yeo h ASN 139 CO -0.31 0.70 0.05 0.00 -1.06 0.00 0.00 177.43 176.82 1yeo h ALA 140 N 1.35 0.36 -0.01 -0.83 0.00 -0.44 -2.04 119.26 117.65 1yeo h ALA 140 Ca 0.35 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1yeo h ALA 140 Cb -0.06 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1yeo h ALA 140 CO -0.10 0.03 0.02 -0.07 0.00 0.00 0.00 179.25 179.14 1yeo h LEU 141 N 0.26 0.00 0.00 0.00 3.38 -0.13 -2.52 115.31 116.30 1yeo h LEU 141 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1yeo h LEU 141 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1yeo h LEU 141 CO 0.00 0.00 -0.88 0.00 0.09 0.00 0.00 178.44 177.65 1yeo n ALA 142 N -2.15 4.05 -0.26 1.53 0.00 -0.77 -4.42 120.51 118.48 1yeo n ALA 142 Ca -0.03 -0.48 0.11 0.00 0.00 0.00 0.00 53.44 53.04 1yeo n ALA 142 Cb 0.10 -0.92 0.37 0.00 0.00 0.00 0.00 19.45 18.99 1yeo n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1yeo h HIS 143 N 0.00 0.82 -0.21 0.00 6.17 -0.92 -2.63 115.15 118.38 1yeo h HIS 143 Ca 0.00 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.10 1yeo h HIS 143 Cb 0.56 -0.26 0.00 0.00 2.52 0.00 0.00 27.41 30.23 1yeo h HIS 143 CO 0.00 0.33 0.00 1.63 0.71 0.00 0.00 177.93 180.60 1yeo n LYS 144 N -4.54 2.23 -1.72 5.26 4.76 -1.26 -4.93 118.16 117.95 1yeo n LYS 144 Ca 0.16 -1.83 -0.43 0.00 -2.87 0.00 0.00 58.31 53.34 1yeo n LYS 144 Cb 0.41 -1.47 -0.02 0.00 -1.84 0.00 0.00 35.03 32.10 1yeo n LYS 144 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1yeo n TYR 145 N 1.10 2.65 -1.11 2.13 4.02 -1.00 -4.79 117.16 120.16 1yeo n TYR 145 Ca 0.17 0.25 0.00 0.00 -0.01 0.00 0.00 57.90 58.31 1yeo n TYR 145 Cb 0.53 -2.58 0.00 0.00 -0.02 0.00 0.00 39.34 37.27 1yeo n TYR 145 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 176.86 173.46